N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]cyclohexanecarboxamide

Systemtic Name: N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]cyclohexanecarboxamide Openeye Name: N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]cyclohexanecarboxamide CAS Name: N-[5-[oxo(1-piperazinyl)methyl]-2-[4-[oxo(pyridin-4-yl)methyl]-1,4-diazepan-1-yl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]cyclohexanecarboxamide Traditional Name: N-[2-(4-isonicotinoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]cyclohexanecarboxamide Formula: C29H38N6O3 MolecularWeight: 518.65042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC=NC=C5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC=NC=C5

InChI

InChI=1S/C29H38N6O3/c36-27(22-5-2-1-3-6-22)32-25-21-24(29(38)35-17-13-31-14-18-35)7-8-26(25)33-15-4-16-34(20-19-33)28(37)23-9-11-30-12-10-23/h7-12,21-22,31H,1-6,13-20H2,(H,32,36)